2',2'-dimethyl-1'-(2-methylphenyl)spiro[cyclohexane-1,3'-indole]

C22H27N — CID 152894760

IUPAC2',2'-dimethyl-1'-(2-methylphenyl)spiro[cyclohexane-1,3'-indole]
SMILESCc1ccccc1N1c2ccccc2C2(CCCCC2)C1(C)C
InChIInChI=1S/C22H27N/c1-17-11-5-7-13-19(17)23-20-14-8-6-12-18(20)22(21(23,2)3)15-9-4-10-16-22/h5-8,11-14H,4,9-10,15-16H2,1-3H3
InChIKeyUEDJAYMGTCJNSB-UHFFFAOYSA-N
MW305.47 g/mol
LogP6.13
Rot. Bonds1

About 2',2'-dimethyl-1'-(2-methylphenyl)spiro[cyclohexane-1,3'-indole]

2',2'-dimethyl-1'-(2-methylphenyl)spiro[cyclohexane-1,3'-indole] (PubChem CID 152894760) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is 2',2'-dimethyl-1'-(2-methylphenyl)spiro[cyclohexane-1,3'-indole].

Molecular Properties

Compound Name2',2'-dimethyl-1'-(2-methylphenyl)spiro[cyclohexane-1,3'-indole]
PubChem CID152894760
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC Name2',2'-dimethyl-1'-(2-methylphenyl)spiro[cyclohexane-1,3'-indole]
SMILESCc1ccccc1N1c2ccccc2C2(CCCCC2)C1(C)C
InChIInChI=1S/C22H27N/c1-17-11-5-7-13-19(17)23-20-14-8-6-12-18(20)22(21(23,2)3)15-9-4-10-16-22/h5-8,11-14H,4,9-10,15-16H2,1-3H3
InChIKeyUEDJAYMGTCJNSB-UHFFFAOYSA-N
XLogP6.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,3-Trimethyl-2-methyleneindoline
CID 8351
2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride
CID 6540442
1-Naphthalenamine, N-[(1,1,3,3-tetramethylbutyl)phenyl]-
CID 40123
1-ethyl-2-[3-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3,3-dimethyl-3H-indolium
CID 5982226
1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide
CID 89218
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CID 44305977
2-Methyl-5-((E)-styryl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 46224878
(3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline
CID 153287566
2-Methyl-2-phenylisoindolinium iodide
CID 28105
Astraphloxin
CID 22781
Astraphloxine
CID 5705411
4,4'-Cyclohexylidenebis-(N,N-dimethylaniline)
CID 4434088

Frequently Asked Questions

What is the IUPAC name of 2',2'-dimethyl-1'-(2-methylphenyl)spiro[cyclohexane-1,3'-indole]?
The IUPAC name of 2',2'-dimethyl-1'-(2-methylphenyl)spiro[cyclohexane-1,3'-indole] (CID 152894760) is 2',2'-dimethyl-1'-(2-methylphenyl)spiro[cyclohexane-1,3'-indole].
What is the SMILES notation for 2',2'-dimethyl-1'-(2-methylphenyl)spiro[cyclohexane-1,3'-indole]?
The canonical SMILES for 2',2'-dimethyl-1'-(2-methylphenyl)spiro[cyclohexane-1,3'-indole] is Cc1ccccc1N1c2ccccc2C2(CCCCC2)C1(C)C.
What is the InChIKey of 2',2'-dimethyl-1'-(2-methylphenyl)spiro[cyclohexane-1,3'-indole]?
The InChIKey is UEDJAYMGTCJNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N/c1-17-11-5-7-13-19(17)23-20-14-8-6-12-18(20)22(21(23,2)3)15-9-4-10-16-22/h5-8,11-14H,4,9-10,15-16H2,1-3H3.
What are the key properties of 2',2'-dimethyl-1'-(2-methylphenyl)spiro[cyclohexane-1,3'-indole]?
2',2'-dimethyl-1'-(2-methylphenyl)spiro[cyclohexane-1,3'-indole] has a molecular weight of 305.47 g/mol, XLogP of 6.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2'-dimethyl-1'-(2-methylphenyl)spiro[cyclohexane-1,3'-indole] is sourced from PubChem (CID 152894760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).